4-hydroxy-2,3,4-trimethylcyclobut-2-en-1-one

C7H10O2 — CID 10261091

IUPAC4-hydroxy-2,3,4-trimethylcyclobut-2-en-1-one
SMILESCC1=C(C)C(C)(O)C1=O
InChIInChI=1S/C7H10O2/c1-4-5(2)7(3,9)6(4)8/h9H,1-3H3
InChIKeyDWDFIMJWMLPBDG-UHFFFAOYSA-N
MW126.15 g/mol
LogP0.66
Rot. Bonds

About 4-hydroxy-2,3,4-trimethylcyclobut-2-en-1-one

4-hydroxy-2,3,4-trimethylcyclobut-2-en-1-one (PubChem CID 10261091) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 4-hydroxy-2,3,4-trimethylcyclobut-2-en-1-one.

Molecular Properties

Compound Name4-hydroxy-2,3,4-trimethylcyclobut-2-en-1-one
PubChem CID10261091
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name4-hydroxy-2,3,4-trimethylcyclobut-2-en-1-one
SMILESCC1=C(C)C(C)(O)C1=O
InChIInChI=1S/C7H10O2/c1-4-5(2)7(3,9)6(4)8/h9H,1-3H3
InChIKeyDWDFIMJWMLPBDG-UHFFFAOYSA-N
XLogP0.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2,3,4-trimethylcyclobut-2-en-1-one?
The IUPAC name of 4-hydroxy-2,3,4-trimethylcyclobut-2-en-1-one (CID 10261091) is 4-hydroxy-2,3,4-trimethylcyclobut-2-en-1-one.
What is the SMILES notation for 4-hydroxy-2,3,4-trimethylcyclobut-2-en-1-one?
The canonical SMILES for 4-hydroxy-2,3,4-trimethylcyclobut-2-en-1-one is CC1=C(C)C(C)(O)C1=O.
What is the InChIKey of 4-hydroxy-2,3,4-trimethylcyclobut-2-en-1-one?
The InChIKey is DWDFIMJWMLPBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-4-5(2)7(3,9)6(4)8/h9H,1-3H3.
What are the key properties of 4-hydroxy-2,3,4-trimethylcyclobut-2-en-1-one?
4-hydroxy-2,3,4-trimethylcyclobut-2-en-1-one has a molecular weight of 126.15 g/mol, XLogP of 0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,3,4-trimethylcyclobut-2-en-1-one is sourced from PubChem (CID 10261091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).